Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.59 |
| ▸ | APP | P05067 | 13/20 | 0.63 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | ALPL | P05186 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | ALPI | P09923 | 1/20 | 0.59 |
| ▸ | ALPG | P10696 | 1/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8067 | 0.98 | APP (0.65) | APPMAPTRAB9AALDH1A1MEN1 | |
| SCHEMBL1096453 | 0.97 | APP (0.63) | APPMAPTRAB9AALDH1A1MEN1 | |
| Phosphoric Acid SCHEMBL307362 | 0.91 | APP (0.61) | APPMAPTRAB9AALDH1A1MEN1 | |
| SCHEMBL532224 | 0.90 | APP (0.59) | APPMAPTRAB9AALDH1A1MEN1 | |
| Acetic Acid SCHEMBL233001 | 0.90 | APP (0.59) | APPMAPTRAB9AALDH1A1MEN1 | |
| SCHEMBL6813575 | 0.86 | APP (0.56) | APPMAPTRAB9AALDH1A1MEN1 | |
| Pyrophosphoric Acid SCHEMBL12479170 | 0.86 | APP (0.56) | APPMAPTRAB9AALDH1A1MEN1 | |
| Pivalate SCHEMBL6813805 | 0.86 | APP (0.56) | APPMAPTRAB9AALDH1A1MEN1 | |
| Bromoacetic Acid SCHEMBL1896728 | 0.86 | APP (0.56) | APPMAPTRAB9AALDH1A1MEN1 | |
| SCHEMBL37435616 | 0.86 | APP (0.58) | APPMAPTRAB9AALDH1A1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106544399-B | Application of high-specificity fluorescent probe for detecting cytochrome P4501A1 | 苏州尚稷电子科技有限公司 | 2020-04-03 | — | — | CN | claimed |
| CN-106544399-A | The application of the high specific fluorescence probe of one class detection Cytochrome P450 1A1 | 苏州尚稷电子科技有限公司 | 2017-03-29 | — | — | CN | claimed |
| WO-1994019487-A1 | ISOLATION OF TROPHOBLASTS | APROGENEX, INC. (US) | 1994-09-01 | — | — | WO | claimed |
| US-5110725-A | Optical probe for the cytochrome P-450 cholesterol side chain cleavage enzyme | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1992-05-05 | — | — | US | claimed |
| US-20240219393-A1 | ALUMINOSILICATE NANOPARTICLE SENSORS AND USES THEREOF | CORNELL UNIVERSITY | 2024-07-04 | — | — | US | disclosed |
| CN-106544399-B | Application of high-specificity fluorescent probe for detecting cytochrome P4501A1 | 苏州尚稷电子科技有限公司 | 2020-04-03 | — | — | CN | disclosed |
| CN-106544399-A | The application of the high specific fluorescence probe of one class detection Cytochrome P450 1A1 | 苏州尚稷电子科技有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-103228795-B | Methods and compositions for detecting biological activity | 3M INNOVATIVE PROPERTIES CO. (US) | 2016-03-02 | — | — | CN | disclosed |
| EP-1877772-B1 | PHOTOLUMINESCENT SILICA-BASED SENSORS AND METHODS OF USE | CORNELL RES FOUNDATION INC (US) | 2015-06-03 | — | — | EP | disclosed |
| CN-103228795-A | Methods and compositions for detecting biological activity | 3M INNOVATIVE PROPERTIES CO | 2013-07-31 | — | — | CN | disclosed |
| US-8153828-B2 | Optical molecular sensors for cytochrome P450 activity | Life Technologies Corporation (US) | 2012-04-10 | — | — | US | disclosed |
| US-8084001-B2 | Photoluminescent silica-based sensors and methods of use | CORNELL RESEARCH FOUNDATION, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20030027238-A1 | Optical molecular sensors for cytochrome P450 activity | Life Technologies Corporation | 2003-02-06 | — | — | US | disclosed |
| US-6514687-B1 | Screening a candidate compound for activity as a Cytochrome P450 enzyme substrate by contacting the compound, enzyme, and a reagent chromogen comprising the ether of a phenolic dye such as a coumarin, resofurin or fluorescein dye | VERTEX PHARMACEUTICALS (SAN DIEGO), LLC | 2003-02-04 | — | — | US | disclosed |
| US-6420130-B1 | CHEMICAL COMPOUND FOR USE IN THE DETECTION OF PREFERENTIAL ENZYMATIC POLYPEPTIDE | AURORA BIOSCIENCES CORPORATION | 2002-07-16 | — | — | US | disclosed |
| EP-1140888-A1 | OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY | Aurora Biosciences Corporation (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6143492-A | COMPOUND USEFUL AS AN OPTICAL PROBE; DRUG SCREENING | AURORA BIOSCIENCES CORPORATION (US) | 2000-11-07 | — | — | US | disclosed |
| WO-2000035900-A1 | OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY | AURORA BIOSCIENCES CORPORATION (US) | 2000-06-22 | — | — | WO | disclosed |
| US-5208332-A | Optical probe for the cytochrome P-450 cholesterol side chain cleavage enzyme | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1993-05-04 | — | — | US | disclosed |
| US-5110725-A | Optical probe for the cytochrome P-450 cholesterol side chain cleavage enzyme | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1992-05-05 | — | — | US | disclosed |